N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine

C20H23N5 — CID 30312000

IUPACN-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
SMILESc1ccc(CNC2(c3nnnn3-c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C20H23N5/c1-4-10-17(11-5-1)16-21-20(14-8-3-9-15-20)19-22-23-24-25(19)18-12-6-2-7-13-18/h1-2,4-7,10-13,21H,3,8-9,14-16H2
InChIKeyWBBPJTMAIVWVQD-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.61
Rot. Bonds5

About N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine

N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine (PubChem CID 30312000) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
PubChem CID30312000
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
SMILESc1ccc(CNC2(c3nnnn3-c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C20H23N5/c1-4-10-17(11-5-1)16-21-20(14-8-3-9-15-20)19-22-23-24-25(19)18-12-6-2-7-13-18/h1-2,4-7,10-13,21H,3,8-9,14-16H2
InChIKeyWBBPJTMAIVWVQD-UHFFFAOYSA-N
XLogP3.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30309738
N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30314584
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
CID 50812587
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 53297705
1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311681
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
The IUPAC name of N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine (CID 30312000) is N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine is c1ccc(CNC2(c3nnnn3-c3ccccc3)CCCCC2)cc1.
What is the InChIKey of N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
The InChIKey is WBBPJTMAIVWVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-10-17(11-5-1)16-21-20(14-8-3-9-15-20)19-22-23-24-25(19)18-12-6-2-7-13-18/h1-2,4-7,10-13,21H,3,8-9,14-16H2.
What are the key properties of N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine has a molecular weight of 333.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 30312000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).